N-(4-azanylcyclohexyl)-4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]-3-[(4-nitrophenyl)carbonylamino]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]-3-[(4-nitrophenyl)carbonylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(3-methylbenzoyl)piperazin-1-yl]-3-[(4-nitrobenzoyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]-3-[[(4-nitrophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(3-methylbenzoyl)piperazin-1-yl]-3-[(4-nitrobenzoyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-m-toluoylpiperazino)-3-[(4-nitrobenzoyl)amino]benzamide Formula: C32H36N6O5 MolecularWeight: 584.66544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H36N6O5/c1-21-3-2-4-24(19-21)32(41)37-17-15-36(16-18-37)29-14-7-23(31(40)34-26-10-8-25(33)9-11-26)20-28(29)35-30(39)22-5-12-27(13-6-22)38(42)43/h2-7,12-14,19-20,25-26H,8-11,15-18,33H2,1H3,(H,34,40)(H,35,39)